pa-C11:0 [5-(3,4-Methylenedioxyphenyl)undecylpyrrolidinamide]

SpectraBase Compound ID	1GyTr1TzzPq
InChI	InChI=1S/C22H33NO3/c24-22(23-15-9-10-16-23)12-8-6-4-2-1-3-5-7-11-19-13-14-20-21(17-19)26-18-25-20/h13-14,17H,1-12,15-16,18H2
InChIKey	OQSQVLPZDHXWPC-UHFFFAOYSA-N Google Search
Mol Weight	359.5 g/mol
Molecular Formula	C22H33NO3
Exact Mass	359.246044 g/mol

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SpectraBase Spectrum ID	Dfcg9qSa6Pn
Name	pa-C11:0 [5-(3,4-Methylenedioxyphenyl)undecylpyrrolidinamide]
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	359.246043924 u
Formula	C22H33NO3
InChI	InChI=1S/C22H33NO3/c24-22(23-15-9-10-16-23)12-8-6-4-2-1-3-5-7-11-19-13-14-20-21(17-19)26-18-25-20/h13-14,17H,1-12,15-16,18H2
InChIKey	OQSQVLPZDHXWPC-UHFFFAOYSA-N
Molecular Weight	359.510 g/mol
SMILES	C(N1CCCC1)(=O)CCCCCCCCCCC1=CC=2OCOC2C=C1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.899059